REMARK  Name = BDB002422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.622  -0.207  -1.406  0.00  0.00    -0.165 NA
ATOM      2  C   LIG    1        1.952  -0.192  -2.112  0.00  0.00    +0.167 C 
ATOM      3  C   LIG    1        1.841  -1.260  -3.201  0.00  0.00    +0.031 C 
ATOM      4  C   LIG    1        0.758  -2.190  -2.689  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -0.234  -1.221  -2.071  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.044  -0.483  -1.073  0.00  0.00    +0.250 C 
ATOM      7  N   LIG    1        3.235   0.550  -0.177  0.00  0.00    -0.219 N 
ATOM      8  H   LIG    1        2.518   1.267  -0.065  0.00  0.00    +0.176 HD
ATOM      9  O   LIG    1        3.689  -1.527  -1.048  0.00  0.00    -0.272 OA
BRANCH   7  10
ATOM     10  N   LIG    1        3.964   0.304   0.929  0.00  0.00    -0.234 N 
ATOM     11  C   LIG    1        5.228   0.731   1.153  0.00  0.00    +0.244 A 
ATOM     12  N   LIG    1        5.554   0.443   2.396  0.00  0.00    -0.137 NA
ATOM     13  N   LIG    1        4.465  -0.180   2.983  0.00  0.00    -0.137 NA
ATOM     14  C   LIG    1        3.511  -0.251   2.079  0.00  0.00    +0.244 A 
ENDBRANCH   7  10
ENDBRANCH   2   6
BRANCH   1  15
ATOM     15  S   LIG    1       -0.045   1.320  -1.128  0.00  0.00    +0.062 S 
ATOM     16  O   LIG    1       -0.495   1.837  -2.401  0.00  0.00    -0.153 OA
ATOM     17  O   LIG    1        0.930   2.038  -0.328  0.00  0.00    -0.153 OA
BRANCH  15  21
ATOM     18  C   LIG    1       -3.651   0.421   1.517  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -2.351   0.265   2.010  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -1.245   0.541   1.205  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -1.447   0.968  -0.108  0.00  0.00    +0.106 A 
ATOM     22  C   LIG    1       -2.739   1.137  -0.611  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -3.841   0.859   0.204  0.00  0.00    +0.047 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.982   0.293   1.980  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -4.638   0.115   2.413  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 5